Quassinoids from Eurycoma longifolia as Potential Dihydrofolate Reductase Inhibitors: A Computational Study.

Nurhanan Murni Yunos Mohammad Gasem Al-Thiabat Nor Jannah Sallehudin Habibah Abdul Wahab

Published in: Current pharmaceutical biotechnology (2024)

From the analysis, 6-dehydrolongilactone and eurycomalide B are among the twelve compounds that showed great potential as hit-to-lead compounds based on the docking score on DHFR, drug-likeness, and ADMET properties. These results suggest a great potential to pursue validation studies via in vitro and in vivo models.

Keyphrases

human health
molecular dynamics
emergency department
molecular dynamics simulations
risk assessment
case control